Vitas-M small molecule compound
(5E)-2-(azepan-1-yl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK701943
SMILES O=C1N=C(S/C/1=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])N1CCCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c24-19-18(28-20(21-19)22-11-5-1-2-6-12-22)13-14-9-10-17(27-14)15-7-3-4-8-16(15)23(25)26/h3-4,7-10,13H,1-2,5-6,11-12H2/b18-13+InChIKey
JOVWRTLOVOMXLB-QGOAFFKASA-NSynonyms
(5E)2(azepan1yl)5((5(2nitrophenyl)furan2yl)methylidene)13thiazol4(5H)one
(5E)2(AZEPAN1YL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)13THIAZOL4ONE
C1CCCN(CC1)C2=NC(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4(N+)(=O)(O))S2
InChI=1SC20H19N3O4Sc241918(2820(2119)221151261222)131491017(2714)15734816(15)23(25)26h3471013H12561112H2b1813+
MFCD03461707
O=C1N=C(SC1=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))N1CCCCCC1
ZINC000016791094
ZINC16791094
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